SCHEMBL14113247

SCHEMBL14113247

COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)CS(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CTSD P07339 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP3A5 P20815 1/20 0.53
▸ CNR1 P21554 1/20 0.53
▸ TBXAS1 P24557 1/20 0.53
▸ ADRA1A P35348 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14113252 0.92 — —
SCHEMBL14113257 0.92 — —
SCHEMBL4904211 0.92 — —
SCHEMBL7248370 0.92 — —
SCHEMBL30585310 0.86 SPPL2A (0.54) —
SCHEMBL6102665 0.86 SPPL2A (0.54) —
SCHEMBL7954523 0.86 SPPL2A (0.54) —
SCHEMBL6262004 0.85 MLNR (0.49) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL4913960 0.85 SPPL2A (0.53) —
SCHEMBL14113250 0.85 SPPL2A (0.53) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-07-24 — — US disclosed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 — — US disclosed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS PRSS1, DNPEP, PREP MLNR 4030/4885ABCB11 681/4885LMNA 3038/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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